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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50236991'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50236991
PNG
(CHEMBL4060227)
Show SMILES COc1cc(Nc2nnc(Cl)c(Nc3cccc(NS(C)(=O)=O)c3)n2)cc(OC)c1OC
Show InChI InChI=1S/C19H21ClN6O5S/c1-29-14-9-13(10-15(30-2)16(14)31-3)22-19-23-18(17(20)24-25-19)21-11-6-5-7-12(8-11)26-32(4,27)28/h5-10,26H,1-4H3,(H2,21,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay


Bioorg Med Chem Lett 27: 1727-1730 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.072
BindingDB Entry DOI: 10.7270/Q2ZC855F
More data for this
Ligand-Target Pair